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3I5Z	Crystal structure of ERK2 bound to (S)-N-(2-hydroxy-1-phenylethyl)-4-(5-methyl-2-(phenylamino)pyrimidin-4-yl)-1H-pyrrole-2-carboxamide Descriptor: Mitogen-activated protein kinase 1, N-[(1S)-2-hydroxy-1-phenylethyl]-4-[5-methyl-2-(phenylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide, SULFATE ION Authors: Jacobs, M.D, Xie, X. Deposit date: 2009-07-06 Release date: 2010-01-12 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Structure-guided design of potent and selective pyrimidylpyrrole inhibitors of extracellular signal-regulated kinase (ERK) using conformational control. J.Med.Chem., 52, 2009
6FJ0	Crystal structure of ERK2 in complex with an adenosine derivative Descriptor: 5'-deoxy-5'-(prop-2-yn-1-ylamino)adenosine, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... Authors: Gelin, M, Labesse, G. Deposit date: 2018-01-19 Release date: 2019-01-30 Last modified: 2024-10-09 Method: X-RAY DIFFRACTION (1.659 Å) Cite: Crystal structure of ERK2 in complex with an adenosine derivative To be published
6FLE	Crystal structure of ERK2 in complex with an adenosine derivative Descriptor: DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, SULFATE ION, ... Authors: Gelin, M, Labesse, G. Deposit date: 2018-01-25 Release date: 2019-02-06 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.48 Å) Cite: Crystal structure of ERK2 in complex with an adenosine derivative To be published
2H9M	WDR5 in complex with unmodified H3K4 peptide Descriptor: H3 histone, WD-repeat protein 5 Authors: Min, J.R, Schuetz, A, Allali-Hassani, A, Martin, F, Loppnau, P, Vedadi, M, Weigelt, J, Sundstrom, M, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) Deposit date: 2006-06-10 Release date: 2006-08-01 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Structural basis for molecular recognition and presentation of histone H3 By WDR5. Embo J., 25, 2006
6FLV	Crystal structure of ERK2 in complex with an adenosine derivative Descriptor: DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, SULFATE ION, ... Authors: Gelin, M, Labesse, G. Deposit date: 2018-01-29 Release date: 2019-02-06 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.91 Å) Cite: None To be published
7LB2	Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to ZS1-589 Descriptor: (3R)-3-methyl-4-{6-[1-(S-methylsulfonimidoyl)cyclopropyl]-2-(naphthalen-1-yl)pyrimidin-4-yl}morpholine, 1,2-ETHANEDIOL, HEXANE-1,6-DIOL, ... Authors: Karim, M.R, Schonbrunn, E. Deposit date: 2021-01-07 Release date: 2021-07-14 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to ZS1-589 To Be Published
7LB0	Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to ZS1-295 Descriptor: 1,2-ETHANEDIOL, 1-{6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl}cyclopropane-1-sulfonamide, Transcription initiation factor TFIID subunit 1 Authors: Karim, M.R, Schonbrunn, E. Deposit date: 2021-01-07 Release date: 2021-07-14 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.33 Å) Cite: Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to ZS1-295 To Be Published
7LB1	Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to ZS1-585 Descriptor: 1,2-ETHANEDIOL, 5-{4-[(3R)-3-methylmorpholin-4-yl]-6-[1-(S-methylsulfonimidoyl)cyclopropyl]pyrimidin-2-yl}isoquinoline, DI(HYDROXYETHYL)ETHER, ... Authors: Karim, M.R, Schonbrunn, E. Deposit date: 2021-01-07 Release date: 2021-07-14 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.35 Å) Cite: Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to ZS1-585 To Be Published
6GDQ	Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2 Descriptor: 4-[5-chloranyl-2-(propan-2-ylamino)pyridin-4-yl]-~{N}-[(1~{S})-1-(3-chlorophenyl)-2-oxidanyl-ethyl]-1~{H}-pyrrole-2-carboxamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... Authors: O'Reilly, M. Deposit date: 2018-04-24 Release date: 2018-05-30 Last modified: 2018-06-27 Method: X-RAY DIFFRACTION (1.86 Å) Cite: Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J. Med. Chem., 61, 2018
6G9D	Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2 Descriptor: Mitogen-activated protein kinase 1, SULFATE ION, ~{N}-~{tert}-butyl-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]ethanamide Authors: O'Reilly, M. Deposit date: 2018-04-10 Release date: 2018-05-30 Last modified: 2018-06-27 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J. Med. Chem., 61, 2018
6G9M	Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2 Descriptor: 2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-(2-phenylpropan-2-yl)ethanamide, Mitogen-activated protein kinase 1, SULFATE ION Authors: O'Reilly, M. Deposit date: 2018-04-11 Release date: 2018-05-30 Last modified: 2018-06-27 Method: X-RAY DIFFRACTION (1.86 Å) Cite: Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J. Med. Chem., 61, 2018
3I60	Crystal structure of ERK2 bound to (S)-4-(2-(2-chlorophenylamino)-5-methylpyrimidin-4-yl)-N-(2-hydroxy-1-phenylethyl)-1H-pyrrole-2-carboxamide Descriptor: 4-{2-[(2-chlorophenyl)amino]-5-methylpyrimidin-4-yl}-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION Authors: Jacobs, M.D, Xie, X. Deposit date: 2009-07-06 Release date: 2010-01-12 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Structure-guided design of potent and selective pyrimidylpyrrole inhibitors of extracellular signal-regulated kinase (ERK) using conformational control. J.Med.Chem., 52, 2009
2Y9Q	Crystal structure of human ERK2 complexed with a MAPK docking peptide Descriptor: MAP KINASE-INTERACTING SERINE/THREONINE-PROTEIN KINASE 1, MITOGEN-ACTIVATED PROTEIN KINASE 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER Authors: Barkai, T, Garai, A, Toeroe, I, Remenyi, A. Deposit date: 2011-02-16 Release date: 2012-02-29 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Specificity of Linear Motifs that Bind to a Common Mitogen-Activated Protein Kinase Docking Groove. Sci. Signal, 5, 2012
6GDM	Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2 Descriptor: (3~{R})-1-[2-oxidanylidene-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]-~{N}-(3-pyridin-4-yl-1~{H}-indazol-5-yl)pyrrolidine-3-carboxamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... Authors: O'Reilly, M. Deposit date: 2018-04-24 Release date: 2018-05-30 Last modified: 2018-06-27 Method: X-RAY DIFFRACTION (1.91 Å) Cite: Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J. Med. Chem., 61, 2018
6G54	Crystal structure of ERK2 covalently bound to SM1-71 Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Mitogen-activated protein kinase 1, ... Authors: Chaikuad, A, Suman, R, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gray, N.S, Knapp, S, Structural Genomics Consortium (SGC) Deposit date: 2018-03-29 Release date: 2019-02-27 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2.05 Å) Cite: Leveraging Compound Promiscuity to Identify Targetable Cysteines within the Kinome. Cell Chem Biol, 26, 2019
4D18	Crystal structure of the COP9 signalosome Descriptor: COP9 SIGNALOSOME COMPLEX SUBUNIT 1, COP9 SIGNALOSOME COMPLEX SUBUNIT 2, COP9 SIGNALOSOME COMPLEX SUBUNIT 3, ... Authors: Bunker, R.D, Lingaraju, G.M, Thoma, N.H. Deposit date: 2014-05-01 Release date: 2014-07-23 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (4.08 Å) Cite: Crystal Structure of the Human Cop9 Signalosome Nature, 512, 2014
4F7S	Crystal structure of human CDK8/CYCC in the DMG-in conformation Descriptor: 1,2-ETHANEDIOL, Cyclin-C, Cyclin-dependent kinase 8, ... Authors: Schneider, E.V, Boettcher, J, Huber, R, Maskos, K. Deposit date: 2012-05-16 Release date: 2013-05-01 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Structure-kinetic relationship study of CDK8/CycC specific compounds. Proc.Natl.Acad.Sci.USA, 110, 2013
6FXV	Crystal structure of ERK2 in complex with an adenosine derivative Descriptor: DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, SULFATE ION, ... Authors: Gelin, M, Labesse, G. Deposit date: 2018-03-09 Release date: 2019-03-20 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.53 Å) Cite: None To be published
6G9N	Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2 Descriptor: (2~{R})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(3-methylphenyl)-2-oxidanyl-ethyl]propanamide, Mitogen-activated protein kinase 1, SULFATE ION Authors: O'Reilly, M. Deposit date: 2018-04-11 Release date: 2018-05-30 Last modified: 2024-10-09 Method: X-RAY DIFFRACTION (1.76 Å) Cite: Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J. Med. Chem., 61, 2018
4F7J	Crystal structure of human CDK8/CYCC in complex with compound 3 (1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-(2-hydroxyethyl)urea) Descriptor: 1,2-ETHANEDIOL, 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-(2-hydroxyethyl)urea, Cyclin-C, ... Authors: Schneider, E.V, Boettcher, J, Huber, R, Maskos, K. Deposit date: 2012-05-16 Release date: 2013-05-01 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Structure-kinetic relationship study of CDK8/CycC specific compounds. Proc.Natl.Acad.Sci.USA, 110, 2013
7M3X	Crystal Structure of the Apo Form of Human RBBP7 Descriptor: Histone-binding protein RBBP7, UNKNOWN ATOM OR ION Authors: Righetto, G.L, Dong, A, Li, Y, Hutchinson, A, Seitova, A, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) Deposit date: 2021-03-19 Release date: 2021-05-05 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.46 Å) Cite: Crystal Structure of the Apo Form of Human RBBP7 To Be Published
6G91	Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2 Descriptor: 5-chloranyl-~{N}-(oxan-4-yl)pyrimidin-2-amine, Mitogen-activated protein kinase 1, SULFATE ION Authors: O'Reilly, M. Deposit date: 2018-04-10 Release date: 2018-05-30 Last modified: 2018-06-27 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J. Med. Chem., 61, 2018
6G9K	Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2 Descriptor: 2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-2-oxidanyl-1-phenyl-ethyl]ethanamide, Mitogen-activated protein kinase 1, SULFATE ION Authors: O'Reilly, M. Deposit date: 2018-04-11 Release date: 2018-05-30 Last modified: 2018-06-27 Method: X-RAY DIFFRACTION (1.94 Å) Cite: Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J. Med. Chem., 61, 2018
6GE0	Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2 Descriptor: 2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]ethanamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... Authors: O'Reilly, M. Deposit date: 2018-04-25 Release date: 2018-05-30 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (1.82 Å) Cite: Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J. Med. Chem., 61, 2018
4F6U	Crystal structure of human CDK8/CYCC in complex with compound 5 (1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[3-(morpholin-4-yl)propyl]urea) Descriptor: 1,2-ETHANEDIOL, 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[3-(morpholin-4-yl)propyl]urea, Cyclin-C, ... Authors: Schneider, E.V, Boettcher, J, Huber, R, Maskos, K. Deposit date: 2012-05-15 Release date: 2013-05-01 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Structure-kinetic relationship study of CDK8/CycC specific compounds. Proc.Natl.Acad.Sci.USA, 110, 2013

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